4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide

C19H21ClN4O2 — CID 119866258

IUPAC4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
SMILESCCn1c(C(C)NC(=O)c2cc(Cl)c(N)cc2OC)nc2ccccc21
InChIInChI=1S/C19H21ClN4O2/c1-4-24-16-8-6-5-7-15(16)23-18(24)11(2)22-19(25)12-9-13(20)14(21)10-17(12)26-3/h5-11H,4,21H2,1-3H3,(H,22,25)
InChIKeyWNYQHZYDYAAVPB-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.79
Rot. Bonds5

About 4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide

4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide (PubChem CID 119866258) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
PubChem CID119866258
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
SMILESCCn1c(C(C)NC(=O)c2cc(Cl)c(N)cc2OC)nc2ccccc21
InChIInChI=1S/C19H21ClN4O2/c1-4-24-16-8-6-5-7-15(16)23-18(24)11(2)22-19(25)12-9-13(20)14(21)10-17(12)26-3/h5-11H,4,21H2,1-3H3,(H,22,25)
InChIKeyWNYQHZYDYAAVPB-UHFFFAOYSA-N
XLogP3.79
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide
CID 60597747
4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 97060163
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16967951
2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 4201077
4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
CID 119744569
N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 7025686
2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide
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N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-3-(methoxymethyl)benzamide
CID 95233946
4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride
CID 119889954
2-methoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16968045

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide (CID 119866258) is 4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide is CCn1c(C(C)NC(=O)c2cc(Cl)c(N)cc2OC)nc2ccccc21.
What is the InChIKey of 4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide?
The InChIKey is WNYQHZYDYAAVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-4-24-16-8-6-5-7-15(16)23-18(24)11(2)22-19(25)12-9-13(20)14(21)10-17(12)26-3/h5-11H,4,21H2,1-3H3,(H,22,25).
What are the key properties of 4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide?
4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide has a molecular weight of 372.86 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 119866258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).