(2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide

C26H29N3O — CID 134369604

IUPAC(2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide
SMILESC[C@H](C(=O)N(Cc1cccc(-c2cn3c(n2)CCC3)c1)CC1CC1)c1ccccc1
InChIInChI=1S/C26H29N3O/c1-19(22-8-3-2-4-9-22)26(30)29(16-20-12-13-20)17-21-7-5-10-23(15-21)24-18-28-14-6-11-25(28)27-24/h2-5,7-10,15,18-20H,6,11-14,16-17H2,1H3/t19-/m0/s1
InChIKeyQIANSTCIVZKQOY-IBGZPJMESA-N
MW399.54 g/mol
LogP5.04
Rot. Bonds7

About (2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide

(2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide (PubChem CID 134369604) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is (2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide
PubChem CID134369604
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name(2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide
SMILESC[C@H](C(=O)N(Cc1cccc(-c2cn3c(n2)CCC3)c1)CC1CC1)c1ccccc1
InChIInChI=1S/C26H29N3O/c1-19(22-8-3-2-4-9-22)26(30)29(16-20-12-13-20)17-21-7-5-10-23(15-21)24-18-28-14-6-11-25(28)27-24/h2-5,7-10,15,18-20H,6,11-14,16-17H2,1H3/t19-/m0/s1
InChIKeyQIANSTCIVZKQOY-IBGZPJMESA-N
XLogP5.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide (CID 134369604) is (2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide is C[C@H](C(=O)N(Cc1cccc(-c2cn3c(n2)CCC3)c1)CC1CC1)c1ccccc1.
What is the InChIKey of (2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide?
The InChIKey is QIANSTCIVZKQOY-IBGZPJMESA-N. The full InChI is InChI=1S/C26H29N3O/c1-19(22-8-3-2-4-9-22)26(30)29(16-20-12-13-20)17-21-7-5-10-23(15-21)24-18-28-14-6-11-25(28)27-24/h2-5,7-10,15,18-20H,6,11-14,16-17H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide?
(2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide has a molecular weight of 399.54 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-phenylpropanamide is sourced from PubChem (CID 134369604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).