3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide

C16H18ClN7O2 — CID 87324506

IUPAC3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide
SMILESCOCCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2ccccc21
InChIInChI=1S/C16H18ClN7O2/c1-26-7-6-24-10-5-3-2-4-9(10)21-11(24)8-20-16(25)12-14(18)23-15(19)13(17)22-12/h2-5H,6-8H2,1H3,(H,20,25)(H4,18,19,23)
InChIKeyHELFASLGORRVOF-UHFFFAOYSA-N
MW375.82 g/mol
LogP1.22
Rot. Bonds6

About 3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide (PubChem CID 87324506) has the molecular formula C16H18ClN7O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide
PubChem CID87324506
Molecular FormulaC16H18ClN7O2
Molecular Weight375.82 g/mol
Exact Mass375.12
IUPAC Name3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide
SMILESCOCCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2ccccc21
InChIInChI=1S/C16H18ClN7O2/c1-26-7-6-24-10-5-3-2-4-9(10)21-11(24)8-20-16(25)12-14(18)23-15(19)13(17)22-12/h2-5H,6-8H2,1H3,(H,20,25)(H4,18,19,23)
InChIKeyHELFASLGORRVOF-UHFFFAOYSA-N
XLogP1.22
TPSA133.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3,5-diamino-6-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 87324571
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968967
4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17009267
3,5-diamino-6-chloro-N-[(6-ethoxy-1-ethylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 87324299
methyl 3-[2-[[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methyl]-3-ethylbenzimidazol-5-yl]sulfanylpropanoate
CID 87324143
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 91820908
ethyl 2-[[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methyl]-3-ethylbenzimidazole-4-carboxylate
CID 122419574
3,5-diamino-6-chloro-N-[(1,3-diethylbenzimidazol-3-ium-2-yl)methyl]pyrazine-2-carboxamide
CID 53258353
2-(2,3-dihydro-1-benzofuran-6-yl)-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 91823518
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966556
N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006686
N-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973793

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide (CID 87324506) is 3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide is COCCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2ccccc21.
What is the InChIKey of 3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is HELFASLGORRVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN7O2/c1-26-7-6-24-10-5-3-2-4-9(10)21-11(24)8-20-16(25)12-14(18)23-15(19)13(17)22-12/h2-5H,6-8H2,1H3,(H,20,25)(H4,18,19,23).
What are the key properties of 3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 375.82 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 87324506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).