2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide

C17H22N4O2 — CID 119860392

IUPAC2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
SMILESO=C(CNCC1CC1)Nc1ccc2nc(C3CCCO3)[nH]c2c1
InChIInChI=1S/C17H22N4O2/c22-16(10-18-9-11-3-4-11)19-12-5-6-13-14(8-12)21-17(20-13)15-2-1-7-23-15/h5-6,8,11,15,18H,1-4,7,9-10H2,(H,19,22)(H,20,21)
InChIKeyFAVGBTJSPWGKST-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.35
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide

2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 119860392) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
PubChem CID119860392
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
SMILESO=C(CNCC1CC1)Nc1ccc2nc(C3CCCO3)[nH]c2c1
InChIInChI=1S/C17H22N4O2/c22-16(10-18-9-11-3-4-11)19-12-5-6-13-14(8-12)21-17(20-13)15-2-1-7-23-15/h5-6,8,11,15,18H,1-4,7,9-10H2,(H,19,22)(H,20,21)
InChIKeyFAVGBTJSPWGKST-UHFFFAOYSA-N
XLogP2.35
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119860413
2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 47826024
4-amino-3-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 120595805
2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 47825848
3-(1,3-dioxoisoindol-2-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 47825937
2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 119860398
2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide
CID 52754121
2-(2,4-dichlorophenoxy)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide
CID 52754120
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860353
5-[(3R)-dithiolan-3-yl]-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]pentanamide
CID 96544781
3-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 47825850
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide
CID 119860394

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide (CID 119860392) is 2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide is O=C(CNCC1CC1)Nc1ccc2nc(C3CCCO3)[nH]c2c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is FAVGBTJSPWGKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-16(10-18-9-11-3-4-11)19-12-5-6-13-14(8-12)21-17(20-13)15-2-1-7-23-15/h5-6,8,11,15,18H,1-4,7,9-10H2,(H,19,22)(H,20,21).
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide?
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 119860392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).