(2S)-2-(benzimidazol-1-yl)-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]propanamide

C20H25N5O — CID 125157151

IUPAC(2S)-2-(benzimidazol-1-yl)-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]propanamide
SMILESCCc1nccn1CC1(CNC(=O)[C@H](C)n2cnc3ccccc32)CC1
InChIInChI=1S/C20H25N5O/c1-3-18-21-10-11-24(18)13-20(8-9-20)12-22-19(26)15(2)25-14-23-16-6-4-5-7-17(16)25/h4-7,10-11,14-15H,3,8-9,12-13H2,1-2H3,(H,22,26)/t15-/m0/s1
InChIKeyRKNPQLWDZMQQOE-HNNXBMFYSA-N
MW351.45 g/mol
LogP2.95
Rot. Bonds7

About (2S)-2-(benzimidazol-1-yl)-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]propanamide

(2S)-2-(benzimidazol-1-yl)-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]propanamide (PubChem CID 125157151) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is (2S)-2-(benzimidazol-1-yl)-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzimidazol-1-yl)-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]propanamide
PubChem CID125157151
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name(2S)-2-(benzimidazol-1-yl)-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]propanamide
SMILESCCc1nccn1CC1(CNC(=O)[C@H](C)n2cnc3ccccc32)CC1
InChIInChI=1S/C20H25N5O/c1-3-18-21-10-11-24(18)13-20(8-9-20)12-22-19(26)15(2)25-14-23-16-6-4-5-7-17(16)25/h4-7,10-11,14-15H,3,8-9,12-13H2,1-2H3,(H,22,26)/t15-/m0/s1
InChIKeyRKNPQLWDZMQQOE-HNNXBMFYSA-N
XLogP2.95
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-(1H-imidazol-2-yl)benzamide
CID 91833630
(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 95148434
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 118780248
2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
CID 115700986
2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 75679386
2-(benzimidazol-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 48507866
3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide
CID 42893030
2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 42959419
2-(benzimidazol-1-yl)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]propanamide
CID 77086029
2-(benzimidazol-1-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 56915831

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]propanamide?
The IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]propanamide (CID 125157151) is (2S)-2-(benzimidazol-1-yl)-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(benzimidazol-1-yl)-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]propanamide?
The canonical SMILES for (2S)-2-(benzimidazol-1-yl)-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]propanamide is CCc1nccn1CC1(CNC(=O)[C@H](C)n2cnc3ccccc32)CC1.
What is the InChIKey of (2S)-2-(benzimidazol-1-yl)-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]propanamide?
The InChIKey is RKNPQLWDZMQQOE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-3-18-21-10-11-24(18)13-20(8-9-20)12-22-19(26)15(2)25-14-23-16-6-4-5-7-17(16)25/h4-7,10-11,14-15H,3,8-9,12-13H2,1-2H3,(H,22,26)/t15-/m0/s1.
What are the key properties of (2S)-2-(benzimidazol-1-yl)-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]propanamide?
(2S)-2-(benzimidazol-1-yl)-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]propanamide has a molecular weight of 351.45 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzimidazol-1-yl)-N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]propanamide is sourced from PubChem (CID 125157151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).