2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide

C20H22N4O — CID 119822806

IUPAC2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide
SMILESCn1c(-c2ccc(NC(=O)CNCC3CC3)cc2)nc2ccccc21
InChIInChI=1S/C20H22N4O/c1-24-18-5-3-2-4-17(18)23-20(24)15-8-10-16(11-9-15)22-19(25)13-21-12-14-6-7-14/h2-5,8-11,14,21H,6-7,12-13H2,1H3,(H,22,25)
InChIKeyJEXQCRZQPVLMKD-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.18
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide

2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide (PubChem CID 119822806) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide
PubChem CID119822806
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide
SMILESCn1c(-c2ccc(NC(=O)CNCC3CC3)cc2)nc2ccccc21
InChIInChI=1S/C20H22N4O/c1-24-18-5-3-2-4-17(18)23-20(24)15-8-10-16(11-9-15)22-19(25)13-21-12-14-6-7-14/h2-5,8-11,14,21H,6-7,12-13H2,1H3,(H,22,25)
InChIKeyJEXQCRZQPVLMKD-UHFFFAOYSA-N
XLogP3.18
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide (CID 119822806) is 2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide is Cn1c(-c2ccc(NC(=O)CNCC3CC3)cc2)nc2ccccc21.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide?
The InChIKey is JEXQCRZQPVLMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-24-18-5-3-2-4-17(18)23-20(24)15-8-10-16(11-9-15)22-19(25)13-21-12-14-6-7-14/h2-5,8-11,14,21H,6-7,12-13H2,1H3,(H,22,25).
What are the key properties of 2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide?
2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 119822806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).