N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide

C19H20N4O — CID 50977313

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide
SMILESC=CCNc1ccccc1C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H20N4O/c1-2-12-20-15-8-4-3-7-14(15)19(24)21-13-11-18-22-16-9-5-6-10-17(16)23-18/h2-10,20H,1,11-13H2,(H,21,24)(H,22,23)
InChIKeyOCFPRSBAMFWSPW-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.13
Rot. Bonds7

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide (PubChem CID 50977313) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide
PubChem CID50977313
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide
SMILESC=CCNc1ccccc1C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H20N4O/c1-2-12-20-15-8-4-3-7-14(15)19(24)21-13-11-18-22-16-9-5-6-10-17(16)23-18/h2-10,20H,1,11-13H2,(H,21,24)(H,22,23)
InChIKeyOCFPRSBAMFWSPW-UHFFFAOYSA-N
XLogP3.13
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 60550987
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
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CID 21008933
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
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CID 34258206
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N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 18126137
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
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1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide (CID 50977313) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide is C=CCNc1ccccc1C(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide?
The InChIKey is OCFPRSBAMFWSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-12-20-15-8-4-3-7-14(15)19(24)21-13-11-18-22-16-9-5-6-10-17(16)23-18/h2-10,20H,1,11-13H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide has a molecular weight of 320.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide is sourced from PubChem (CID 50977313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).