N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide

C20H19N5O — CID 97213270

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cccn1Cc1cccnc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H19N5O/c1-14(19-23-16-7-2-3-8-17(16)24-19)22-20(26)18-9-5-11-25(18)13-15-6-4-10-21-12-15/h2-12,14H,13H2,1H3,(H,22,26)(H,23,24)/t14-/m1/s1
InChIKeySAMISTIOKQFAEZ-CQSZACIVSA-N
MW345.41 g/mol
LogP3.30
Rot. Bonds5

About N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 97213270) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID97213270
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cccn1Cc1cccnc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H19N5O/c1-14(19-23-16-7-2-3-8-17(16)24-19)22-20(26)18-9-5-11-25(18)13-15-6-4-10-21-12-15/h2-12,14H,13H2,1H3,(H,22,26)(H,23,24)/t14-/m1/s1
InChIKeySAMISTIOKQFAEZ-CQSZACIVSA-N
XLogP3.30
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide
CID 75490056
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea
CID 18129110
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 167797492
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 60731653
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide
CID 134032924
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 92582412
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide (CID 97213270) is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide is C[C@@H](NC(=O)c1cccn1Cc1cccnc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is SAMISTIOKQFAEZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14(19-23-16-7-2-3-8-17(16)24-19)22-20(26)18-9-5-11-25(18)13-15-6-4-10-21-12-15/h2-12,14H,13H2,1H3,(H,22,26)(H,23,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 97213270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).