2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide

C20H22N4O2 — CID 120669855

IUPAC2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
SMILESCc1ccc(C(N)C(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)cc1
InChIInChI=1S/C20H22N4O2/c1-12-4-6-13(7-5-12)18(21)20(25)22-14-8-9-15-16(11-14)24-19(23-15)17-3-2-10-26-17/h4-9,11,17-18H,2-3,10,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyDCMIRSYKBKYWQW-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.36
Rot. Bonds4

About 2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide

2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 120669855) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
PubChem CID120669855
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
SMILESCc1ccc(C(N)C(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)cc1
InChIInChI=1S/C20H22N4O2/c1-12-4-6-13(7-5-12)18(21)20(25)22-14-8-9-15-16(11-14)24-19(23-15)17-3-2-10-26-17/h4-9,11,17-18H,2-3,10,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyDCMIRSYKBKYWQW-UHFFFAOYSA-N
XLogP3.36
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide
CID 119860394
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 119860393
2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride
CID 120798817
2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 119860398
2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride
CID 119860409
(2S)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-3-ylpropanamide
CID 95980969
(2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide
CID 124506480
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860353
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119860392
4-amino-3-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 120595805
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide
CID 71936234
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119860413

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide (CID 120669855) is 2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide is Cc1ccc(C(N)C(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is DCMIRSYKBKYWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-4-6-13(7-5-12)18(21)20(25)22-14-8-9-15-16(11-14)24-19(23-15)17-3-2-10-26-17/h4-9,11,17-18H,2-3,10,21H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide?
2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 120669855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).