(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione

C34H36Cl2N6O4 — CID 161010316

IUPAC(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1CC1CC1.O=C1N[C@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1CC1CCCC1
InChIInChI=1S/C18H20ClN3O2.C16H16ClN3O2/c19-14-7-3-6-13-12(9-20-16(13)14)8-15-17(23)22(18(24)21-15)10-11-4-1-2-5-11;17-12-3-1-2-11-10(7-18-14(11)12)6-13-15(21)20(16(22)19-13)8-9-4-5-9/h3,6-7,9,11,15,20H,1-2,4-5,8,10H2,(H,21,24);1-3,7,9,13,18H,4-6,8H2,(H,19,22)/t15-;13-/m11/s1
InChIKeyTXAVFKVXMFYQOS-UEVMWXEFSA-N
MW663.61 g/mol
LogP6.17
Rot. Bonds8

About (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione

(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione (PubChem CID 161010316) has the molecular formula C34H36Cl2N6O4 and a molecular weight of 663.61 g/mol. Its IUPAC name is (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione
PubChem CID161010316
Molecular FormulaC34H36Cl2N6O4
Molecular Weight663.61 g/mol
Exact Mass662.22
IUPAC Name(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1CC1CC1.O=C1N[C@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1CC1CCCC1
InChIInChI=1S/C18H20ClN3O2.C16H16ClN3O2/c19-14-7-3-6-13-12(9-20-16(13)14)8-15-17(23)22(18(24)21-15)10-11-4-1-2-5-11;17-12-3-1-2-11-10(7-18-14(11)12)6-13-15(21)20(16(22)19-13)8-9-4-5-9/h3,6-7,9,11,15,20H,1-2,4-5,8,10H2,(H,21,24);1-3,7,9,13,18H,4-6,8H2,(H,19,22)/t15-;13-/m11/s1
InChIKeyTXAVFKVXMFYQOS-UEVMWXEFSA-N
XLogP6.17
TPSA130.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.61
LogP ≤ 56.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione (CID 161010316) is (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione is O=C1N[C@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1CC1CC1.O=C1N[C@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1CC1CCCC1.
What is the InChIKey of (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione?
The InChIKey is TXAVFKVXMFYQOS-UEVMWXEFSA-N. The full InChI is InChI=1S/C18H20ClN3O2.C16H16ClN3O2/c19-14-7-3-6-13-12(9-20-16(13)14)8-15-17(23)22(18(24)21-15)10-11-4-1-2-5-11;17-12-3-1-2-11-10(7-18-14(11)12)6-13-15(21)20(16(22)19-13)8-9-4-5-9/h3,6-7,9,11,15,20H,1-2,4-5,8,10H2,(H,21,24);1-3,7,9,13,18H,4-6,8H2,(H,19,22)/t15-;13-/m11/s1.
What are the key properties of (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione?
(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione has a molecular weight of 663.61 g/mol, XLogP of 6.17, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 161010316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).