(3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide

C17H25N5O — CID 122571426

IUPAC(3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide
SMILESCc1ccc2[nH]c(CCNC(=O)N3CCN[C@H](C)C3)nc2c1C
InChIInChI=1S/C17H25N5O/c1-11-4-5-14-16(13(11)3)21-15(20-14)6-7-19-17(23)22-9-8-18-12(2)10-22/h4-5,12,18H,6-10H2,1-3H3,(H,19,23)(H,20,21)/t12-/m1/s1
InChIKeyVEGJLQACBFBZAQ-GFCCVEGCSA-N
MW315.42 g/mol
LogP1.73
Rot. Bonds3

About (3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide

(3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide (PubChem CID 122571426) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide
PubChem CID122571426
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide
SMILESCc1ccc2[nH]c(CCNC(=O)N3CCN[C@H](C)C3)nc2c1C
InChIInChI=1S/C17H25N5O/c1-11-4-5-14-16(13(11)3)21-15(20-14)6-7-19-17(23)22-9-8-18-12(2)10-22/h4-5,12,18H,6-10H2,1-3H3,(H,19,23)(H,20,21)/t12-/m1/s1
InChIKeyVEGJLQACBFBZAQ-GFCCVEGCSA-N
XLogP1.73
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide?
The IUPAC name of (3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide (CID 122571426) is (3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide?
The canonical SMILES for (3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide is Cc1ccc2[nH]c(CCNC(=O)N3CCN[C@H](C)C3)nc2c1C.
What is the InChIKey of (3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide?
The InChIKey is VEGJLQACBFBZAQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11-4-5-14-16(13(11)3)21-15(20-14)6-7-19-17(23)22-9-8-18-12(2)10-22/h4-5,12,18H,6-10H2,1-3H3,(H,19,23)(H,20,21)/t12-/m1/s1.
What are the key properties of (3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide?
(3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-methylpiperazine-1-carboxamide is sourced from PubChem (CID 122571426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).