1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine

C14H16N6 — CID 116974313

IUPAC1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine
SMILESCC(N)CNc1ncc(-c2ccc3nc[nH]c3c2)cn1
InChIInChI=1S/C14H16N6/c1-9(15)5-16-14-17-6-11(7-18-14)10-2-3-12-13(4-10)20-8-19-12/h2-4,6-9H,5,15H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyCKBZSGBSZUZMKN-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.78
Rot. Bonds4

About 1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine

1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine (PubChem CID 116974313) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine
PubChem CID116974313
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine
SMILESCC(N)CNc1ncc(-c2ccc3nc[nH]c3c2)cn1
InChIInChI=1S/C14H16N6/c1-9(15)5-16-14-17-6-11(7-18-14)10-2-3-12-13(4-10)20-8-19-12/h2-4,6-9H,5,15H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyCKBZSGBSZUZMKN-UHFFFAOYSA-N
XLogP1.78
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-3H-benzimidazol-5-amine
CID 67445159
3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine
CID 116877211
N-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 116877363
5-(3H-benzimidazol-5-yl)pentan-2-amine
CID 116925069
6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole
CID 175227051
6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614
2-[4-(3H-benzimidazol-5-yl)phenyl]-7H-purine
CID 89475023
1-[[4-(3H-benzimidazol-5-yl)-2-fluorophenyl]methyl]-4,4-dimethylcyclohexan-1-amine
CID 90898991
3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine
CID 116898218
1H-benzimidazole;propane-1,2-diamine
CID 174972252
N-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide
CID 39819464
2-amino-3-[4-[[2-[4-(3H-benzimidazol-5-yl)phenyl]-3-methylbutyl]carbamoyl]phenyl]propanoic acid
CID 121454859

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine?
The IUPAC name of 1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine (CID 116974313) is 1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine?
The canonical SMILES for 1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine is CC(N)CNc1ncc(-c2ccc3nc[nH]c3c2)cn1.
What is the InChIKey of 1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine?
The InChIKey is CKBZSGBSZUZMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-9(15)5-16-14-17-6-11(7-18-14)10-2-3-12-13(4-10)20-8-19-12/h2-4,6-9H,5,15H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine?
1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine has a molecular weight of 268.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine is sourced from PubChem (CID 116974313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).